#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:58:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180204 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/98/7109846.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7109846
loop_
_publ_author_name
'Guo Fan Jin'
'Jo-Hyun Hwang'
'Jong-Dae Lee'
'Kyung-Ryang Wee'
'Il-Hwan Suh'
'Sang Ook Kang'
_publ_section_title
;
 A three-dimensional pi-electron acceptor, tri-phenyl-o-carborane, bearing
 a rigid conformation with end-on phenyl units
;
_journal_name_full               Chem.Commun.
_journal_page_first              9398
_journal_paper_doi               10.1039/c3cc45313h
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C20 H24 B10'
_chemical_formula_sum            'C20 H24 B10'
_chemical_formula_weight         372.49
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.6120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5359(8)
_cell_length_b                   12.9150(8)
_cell_length_c                   13.3882(8)
_cell_measurement_reflns_used    9757
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.311
_cell_measurement_theta_min      2.206
_cell_volume                     2137.1(2)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1999)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0213
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28537
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        0.0043
_exptl_absorpt_coefficient_mu    0.058
_exptl_absorpt_correction_T_max  0.9884
_exptl_absorpt_correction_T_min  0.9771
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.158
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'square rod'
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.271
_refine_diff_density_min         -0.305
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5335
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0592
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0966P)²+0.3692P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1574
_refine_ls_wR_factor_ref         0.1771
_reflns_number_gt                4012
_reflns_number_total             5335
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45313h.txt
_cod_data_source_block           k111101
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7109846
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
B3 B 0.38502(13) 0.36975(13) 0.32970(12) 0.0463(4) Uani 1 1 d .
B4 B 0.49826(14) 0.43204(13) 0.29027(13) 0.0496(4) Uani 1 1 d .
H4 H 0.5722 0.4472 0.3451 0.060 Uiso 1 1 calc R
B5 B 0.50345(13) 0.39751(12) 0.16214(12) 0.0457(4) Uani 1 1 d .
H5 H 0.5813 0.3902 0.1351 0.055 Uiso 1 1 calc R
B6 B 0.39400(12) 0.31251(13) 0.11509(12) 0.0444(3) Uani 1 1 d .
B7 B 0.27258(14) 0.38269(16) 0.12070(14) 0.0554(4) Uani 1 1 d .
H7 H 0.1981 0.3655 0.0672 0.067 Uiso 1 1 calc R
B8 B 0.26767(15) 0.41683(15) 0.24837(15) 0.0579(5) Uani 1 1 d .
H8 H 0.1900 0.4212 0.2760 0.069 Uiso 1 1 calc R
B9 B 0.37579(17) 0.50116(15) 0.29127(16) 0.0615(5) Uani 1 1 d .
H9 H 0.3693 0.5627 0.3467 0.074 Uiso 1 1 calc R
B10 B 0.44980(17) 0.51917(14) 0.18963(16) 0.0602(5) Uani 1 1 d .
H10 H 0.4919 0.5922 0.1796 0.072 Uiso 1 1 calc R
B11 B 0.38579(14) 0.44556(15) 0.08369(14) 0.0544(4) Uani 1 1 d .
H11 H 0.3863 0.4709 0.0053 0.065 Uiso 1 1 calc R
B12 B 0.30667(17) 0.50980(16) 0.16399(17) 0.0663(5) Uani 1 1 d .
H12 H 0.2554 0.5767 0.1372 0.080 Uiso 1 1 calc R
C1 C 0.45987(10) 0.31175(10) 0.24392(9) 0.0395(3) Uani 1 1 d .
C2 C 0.32809(10) 0.30561(11) 0.21903(10) 0.0439(3) Uani 1 1 d .
H2 H 0.2883 0.2314 0.2294 0.053 Uiso 1 1 calc R
C13 C 0.52476(10) 0.21747(10) 0.28053(9) 0.0402(3) Uani 1 1 d .
C14 C 0.63726(12) 0.22313(12) 0.29463(11) 0.0503(3) Uani 1 1 d .
H14 H 0.6706 0.2838 0.2785 0.060 Uiso 1 1 calc R
C15 C 0.69966(13) 0.13929(15) 0.33231(13) 0.0624(4) Uani 1 1 d .
H15 H 0.7747 0.1437 0.3411 0.075 Uiso 1 1 calc R
C16 C 0.65135(15) 0.04909(14) 0.35699(13) 0.0640(4) Uani 1 1 d .
H16 H 0.6936 -0.0072 0.3826 0.077 Uiso 1 1 calc R
C17 C 0.54054(15) 0.04278(13) 0.34356(14) 0.0640(4) Uani 1 1 d .
H17 H 0.5077 -0.0179 0.3603 0.077 Uiso 1 1 calc R
C18 C 0.47762(13) 0.12621(12) 0.30525(13) 0.0541(4) Uani 1 1 d .
H18 H 0.4026 0.1209 0.2960 0.065 Uiso 1 1 calc R
C19 C 0.38200(12) 0.31979(11) 0.43602(10) 0.0466(3) Uani 1 1 d .
C20 C 0.47467(15) 0.30456(18) 0.50676(14) 0.0718(5) Uani 1 1 d .
H20 H 0.5415 0.3213 0.4897 0.086 Uiso 1 1 calc R
C21 C 0.47068(17) 0.26512(17) 0.60221(14) 0.0743(5) Uani 1 1 d .
H21 H 0.5343 0.2558 0.6481 0.089 Uiso 1 1 calc R
C22 C 0.37349(17) 0.23980(14) 0.62915(13) 0.0666(5) Uani 1 1 d .
H22 H 0.3705 0.2143 0.6936 0.080 Uiso 1 1 calc R
C23 C 0.28138(17) 0.25225(19) 0.56070(16) 0.0805(6) Uani 1 1 d .
H23 H 0.2151 0.2344 0.5783 0.097 Uiso 1 1 calc R
C24 C 0.28503(14) 0.29125(15) 0.46482(14) 0.0642(5) Uani 1 1 d .
H24 H 0.2211 0.2984 0.4189 0.077 Uiso 1 1 calc R
C25 C 0.39743(11) 0.21718(12) 0.04396(10) 0.0469(3) Uani 1 1 d .
C26 C 0.32333(16) 0.13667(15) 0.03961(14) 0.0693(5) Uani 1 1 d .
H26 H 0.2731 0.1371 0.0835 0.083 Uiso 1 1 calc R
C27 C 0.3223(2) 0.05567(17) -0.02843(16) 0.0832(6) Uani 1 1 d .
H27 H 0.2719 0.0026 -0.0296 0.100 Uiso 1 1 calc R
C28 C 0.3952(2) 0.05352(18) -0.09397(15) 0.0840(6) Uani 1 1 d .
H28 H 0.3957 -0.0015 -0.1387 0.101 Uiso 1 1 calc R
C29 C 0.46761(18) 0.1333(2) -0.09296(14) 0.0821(6) Uani 1 1 d .
H29 H 0.5160 0.1331 -0.1386 0.099 Uiso 1 1 calc R
C30 C 0.46952(14) 0.21441(15) -0.02461(11) 0.0606(4) Uani 1 1 d .
H30 H 0.5196 0.2675 -0.0246 0.073 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
C19 B3 C2 120.48(12)
C19 B3 C1 120.75(12)
C2 B3 C1 55.41(7)
C19 B3 B9 130.32(13)
C2 B3 B9 102.17(12)
C1 B3 B9 103.50(10)
C19 B3 B8 123.46(12)
C2 B3 B8 57.61(10)
C1 B3 B8 102.77(11)
B9 B3 B8 59.28(11)
C19 B3 B4 126.44(13)
C2 B3 B4 101.28(10)
C1 B3 B4 57.61(8)
B9 B3 B4 59.96(10)
B8 B3 B4 106.32(12)
C1 B4 B9 105.51(12)
C1 B4 B10 105.02(13)
B9 B4 B10 60.20(10)
C1 B4 B5 58.52(8)
B9 B4 B5 107.63(13)
B10 B4 B5 59.57(10)
C1 B4 B3 60.61(8)
B9 B4 B3 59.61(9)
B10 B4 B3 108.68(13)
B5 B4 B3 109.26(12)
C1 B4 H4 123.9
B9 B4 H4 122.6
B10 B4 H4 122.3
B5 B4 H4 121.6
B3 B4 H4 120.4
C1 B5 B10 105.58(11)
C1 B5 B11 106.42(10)
B10 B5 B11 60.38(11)
C1 B5 B4 58.63(8)
B10 B5 B4 60.17(10)
B11 B5 B4 108.76(12)
C1 B5 B6 61.27(8)
B10 B5 B6 108.79(12)
B11 B5 B6 59.52(10)
B4 B5 B6 110.07(10)
C1 B5 H5 123.4
B10 B5 H5 122.2
B11 B5 H5 122.1
B4 B5 H5 120.9
B6 B5 H5 120.2
C25 B6 C2 120.93(12)
C25 B6 B11 128.88(12)
C2 B6 B11 102.94(11)
C25 B6 C1 122.01(12)
C2 B6 C1 55.23(7)
B11 B6 C1 103.56(12)
C25 B6 B7 122.47(13)
C2 B6 B7 57.89(8)
B11 B6 B7 60.00(10)
C1 B6 B7 102.86(11)
C25 B6 B5 126.97(11)
C2 B6 B5 100.90(11)
B11 B6 B5 59.85(10)
C1 B6 B5 57.21(8)
B7 B6 B5 106.45(12)
C2 B7 B12 104.12(13)
C2 B7 B11 103.91(11)
B12 B7 B11 60.43(11)
C2 B7 B8 58.45(9)
B12 B7 B8 59.99(11)
B11 B7 B8 108.22(14)
C2 B7 B6 59.62(8)
B12 B7 B6 108.91(13)
B11 B7 B6 59.55(9)
B8 B7 B6 109.49(12)
C2 B7 H7 125.3
B12 B7 H7 122.2
B11 B7 H7 122.8
B8 B7 H7 121.0
B6 B7 H7 120.4
C2 B8 B9 104.47(12)
C2 B8 B12 104.13(11)
B9 B8 B12 60.60(12)
C2 B8 B7 58.64(10)
B9 B8 B7 108.62(12)
B12 B8 B7 59.82(11)
C2 B8 B3 59.96(9)
B9 B8 B3 59.99(11)
B12 B8 B3 109.43(13)
B7 B8 B3 110.19(11)
C2 B8 H8 125.1
B9 B8 H8 122.4
B12 B8 H8 122.3
B7 B8 H8 120.8
B3 B8 H8 119.9
B8 B9 B3 60.73(10)
B8 B9 B4 107.82(12)
B3 B9 B4 60.43(9)
B8 B9 B12 60.08(12)
B3 B9 B12 109.61(14)
B4 B9 B12 107.88(13)
B8 B9 B10 107.58(14)
B3 B9 B10 109.21(12)
B4 B9 B10 60.03(10)
B12 B9 B10 59.63(11)
B8 B9 H9 121.9
B3 B9 H9 120.3
B4 B9 H9 121.9
B12 B9 H9 121.4
B10 B9 H9 121.8
B5 B10 B12 107.82(14)
B5 B10 B4 60.26(10)
B12 B10 B4 108.02(12)
B5 B10 B11 59.87(10)
B12 B10 B11 60.22(12)
B4 B10 B11 108.42(12)
B5 B10 B9 107.84(12)
B12 B10 B9 60.07(12)
B4 B10 B9 59.77(10)
B11 B10 B9 108.34(14)
B5 B10 H10 121.9
B12 B10 H10 121.7
B4 B10 H10 121.6
B11 B10 H10 121.4
B9 B10 H10 121.8
B6 B11 B5 60.63(9)
B6 B11 B7 60.45(9)
B5 B11 B7 107.40(11)
B6 B11 B10 109.18(12)
B5 B11 B10 59.75(10)
B7 B11 B10 107.23(12)
B6 B11 B12 108.95(11)
B5 B11 B12 107.27(13)
B7 B11 B12 59.60(11)
B10 B11 B12 59.63(12)
B6 B11 H11 120.4
B5 B11 H11 122.1
B7 B11 H11 122.3
B10 B11 H11 121.8
B12 B11 H11 121.9
B7 B12 B8 60.19(11)
B7 B12 B10 107.94(13)
B8 B12 B10 107.50(14)
B7 B12 B9 107.91(13)
B8 B12 B9 59.32(11)
B10 B12 B9 60.30(12)
B7 B12 B11 59.97(11)
B8 B12 B11 108.02(13)
B10 B12 B11 60.15(11)
B9 B12 B11 108.46(13)
B7 B12 H12 121.7
B8 B12 H12 122.1
B10 B12 H12 121.8
B9 B12 H12 121.7
B11 B12 H12 121.4
C13 C1 C2 120.16(11)
C13 C1 B5 121.41(10)
C2 C1 B5 108.76(10)
C13 C1 B4 120.91(11)
C2 C1 B4 109.38(11)
B5 C1 B4 62.85(9)
C13 C1 B3 116.71(10)
C2 C1 B3 61.56(8)
B5 C1 B3 113.75(10)
B4 C1 B3 61.78(9)
C13 C1 B6 117.30(10)
C2 C1 B6 60.88(8)
B5 C1 B6 61.52(9)
B4 C1 B6 113.72(11)
B3 C1 B6 114.58(10)
C1 C2 B8 112.75(12)
C1 C2 B7 113.48(10)
B8 C2 B7 62.91(10)
C1 C2 B6 63.89(8)
B8 C2 B6 115.60(11)
B7 C2 B6 62.49(9)
C1 C2 B3 63.03(8)
B8 C2 B3 62.43(10)
B7 C2 B3 115.83(12)
B6 C2 B3 118.37(10)
C1 C2 H2 118.8
B8 C2 H2 118.6
B7 C2 H2 118.1
B6 C2 H2 115.6
B3 C2 H2 115.9
C18 C13 C14 118.39(13)
C18 C13 C1 122.66(12)
C14 C13 C1 118.88(12)
C15 C14 C13 120.48(15)
C15 C14 H14 119.8
C13 C14 H14 119.8
C16 C15 C14 120.37(15)
C16 C15 H15 119.8
C14 C15 H15 119.8
C17 C16 C15 119.62(16)
C17 C16 H16 120.2
C15 C16 H16 120.2
C16 C17 C18 120.29(16)
C16 C17 H17 119.9
C18 C17 H17 119.9
C17 C18 C13 120.85(15)
C17 C18 H18 119.6
C13 C18 H18 119.6
C20 C19 C24 116.54(14)
C20 C19 B3 122.29(13)
C24 C19 B3 121.14(14)
C21 C20 C19 121.88(16)
C21 C20 H20 119.1
C19 C20 H20 119.1
C22 C21 C20 120.19(19)
C22 C21 H21 119.9
C20 C21 H21 119.9
C23 C22 C21 119.23(16)
C23 C22 H22 120.4
C21 C22 H22 120.4
C22 C23 C24 120.78(17)
C22 C23 H23 119.6
C24 C23 H23 119.6
C19 C24 C23 121.36(17)
C19 C24 H24 119.3
C23 C24 H24 119.3
C26 C25 C30 117.16(16)
C26 C25 B6 121.97(14)
C30 C25 B6 120.63(14)
C27 C26 C25 121.71(18)
C27 C26 H26 119.1
C25 C26 H26 119.1
C28 C27 C26 120.1(2)
C28 C27 H27 119.9
C26 C27 H27 119.9
C27 C28 C29 119.34(19)
C27 C28 H28 120.3
C29 C28 H28 120.3
C28 C29 C30 120.79(19)
C28 C29 H29 119.6
C30 C29 H29 119.6
C29 C30 C25 120.82(18)
C29 C30 H30 119.6
C25 C30 H30 119.6
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
B3 C19 1.569(2)
B3 C2 1.743(2)
B3 C1 1.7664(19)
B3 B9 1.772(2)
B3 B8 1.785(3)
B3 B4 1.786(2)
B4 C1 1.712(2)
B4 B9 1.778(3)
B4 B10 1.783(3)
B4 B5 1.784(2)
B4 H4 1.1000
B5 C1 1.7099(19)
B5 B10 1.772(2)
B5 B11 1.774(2)
B5 B6 1.788(2)
B5 H5 1.1000
B6 C25 1.562(2)
B6 C2 1.7352(19)
B6 B11 1.768(2)
B6 C1 1.784(2)
B6 B7 1.784(2)
B7 C2 1.704(2)
B7 B12 1.769(3)
B7 B11 1.776(2)
B7 B8 1.776(3)
B7 H7 1.1000
B8 C2 1.700(2)
B8 B9 1.759(3)
B8 B12 1.772(3)
B8 H8 1.1000
B9 B12 1.782(3)
B9 B10 1.786(2)
B9 H9 1.1000
B10 B12 1.774(3)
B10 B11 1.783(3)
B10 H10 1.1000
B11 B12 1.784(3)
B11 H11 1.1000
B12 H12 1.1000
C1 C13 1.5005(18)
C1 C2 1.6317(17)
C2 H2 1.1000
C13 C18 1.383(2)
C13 C14 1.3933(19)
C14 C15 1.381(2)
C14 H14 0.9300
C15 C16 1.378(3)
C15 H15 0.9300
C16 C17 1.373(3)
C16 H16 0.9300
C17 C18 1.382(2)
C17 H17 0.9300
C18 H18 0.9300
C19 C20 1.385(2)
C19 C24 1.385(2)
C20 C21 1.384(2)
C20 H20 0.9300
C21 C22 1.367(3)
C21 H21 0.9300
C22 C23 1.359(3)
C22 H22 0.9300
C23 C24 1.387(2)
C23 H23 0.9300
C24 H24 0.9300
C25 C26 1.389(2)
C25 C30 1.392(2)
C26 C27 1.386(3)
C26 H26 0.9300
C27 C28 1.370(3)
C27 H27 0.9300
C28 C29 1.372(3)
C28 H28 0.9300
C29 C30 1.388(3)
C29 H29 0.9300
C30 H30 0.9300
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
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B4 C1 C13 C14 -41.60(17)
B3 C1 C13 C14 -113.20(13)
B6 C1 C13 C14 105.19(14)
C18 C13 C14 C15 0.1(2)
C1 C13 C14 C15 177.25(13)
C13 C14 C15 C16 -0.4(2)
C14 C15 C16 C17 0.2(3)
C15 C16 C17 C18 0.2(3)
C16 C17 C18 C13 -0.5(3)
C14 C13 C18 C17 0.4(2)
C1 C13 C18 C17 -176.71(14)
C2 B3 C19 C20 125.26(17)
C1 B3 C19 C20 59.9(2)
B9 B3 C19 C20 -89.6(2)
B8 B3 C19 C20 -165.59(17)
B4 B3 C19 C20 -10.5(2)
C2 B3 C19 C24 -56.6(2)
C1 B3 C19 C24 -122.01(16)
B9 B3 C19 C24 88.5(2)
B8 B3 C19 C24 12.5(2)
B4 B3 C19 C24 167.60(15)
C24 C19 C20 C21 -1.4(3)
B3 C19 C20 C21 176.77(18)
C19 C20 C21 C22 0.1(3)
C20 C21 C22 C23 1.0(3)
C21 C22 C23 C24 -0.7(3)
C20 C19 C24 C23 1.8(3)
B3 C19 C24 C23 -176.48(18)
C22 C23 C24 C19 -0.7(3)
C2 B6 C25 C26 20.5(2)
B11 B6 C25 C26 -124.43(17)
C1 B6 C25 C26 86.35(18)
B7 B6 C25 C26 -48.8(2)
B5 B6 C25 C26 157.15(15)
C2 B6 C25 C30 -165.36(13)
B11 B6 C25 C30 49.7(2)
C1 B6 C25 C30 -99.53(16)
B7 B6 C25 C30 125.33(15)
B5 B6 C25 C30 -28.7(2)
C30 C25 C26 C27 1.3(3)
B6 C25 C26 C27 175.65(17)
C25 C26 C27 C28 -0.2(3)
C26 C27 C28 C29 -1.4(3)
C27 C28 C29 C30 1.8(3)
C28 C29 C30 C25 -0.6(3)
C26 C25 C30 C29 -1.0(2)
B6 C25 C30 C29 -175.35(16)
